1,3-bis(4-methylphenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione

Systemtic Name: 1,3-bis(4-methylphenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione Openeye Name: 4-(3-nitrophenyl)-1,3-bis(p-tolyl)-4H-pyrido[2,1-b]purine-2-thione CAS Name: 1,3-bis(4-methylphenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione IUPAC Name: 1,3-bis(4-methylphenyl)-4-(3-nitrophenyl)-4H-pyrido[2,1-b]purine-2-thione Traditional Name: 4-(3-nitrophenyl)-1,3-bis(p-tolyl)-4H-pyrido[2,1-b]purine-2-thione Formula: C29H23N5O2S MolecularWeight: 505.59022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(N4C=CC=CC4=NC3C5=CC(=CC=C5)[N+](=O)[O-])N(C2=S)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(N4C=CC=CC4=NC3C5=CC(=CC=C5)[N+](=O)[O-])N(C2=S)C6=CC=C(C=C6)C

InChI

InChI=1S/C29H23N5O2S/c1-19-9-13-22(14-10-19)32-27-26(21-6-5-7-24(18-21)34(35)36)30-25-8-3-4-17-31(25)28(27)33(29(32)37)23-15-11-20(2)12-16-23/h3-18,26H,1-2H3